Synergistic effects of nuclear and electronic energy loss in KTaO3 under ion irradiation

Eva Zarkadoula; Ke Jin; Yanwen Zhang; William J. Weber

doi:10.1063/1.4973938

Synergistic effects of nuclear and electronic energy loss in KTaO₃ under ion irradiation

Eva Zarkadoula, Ke Jin, Yanwen Zhang, William J. Weber

Nanomaterials Theory Institute

Research output: Contribution to journal › Article › peer-review

23 Scopus citations

Abstract

We use the inelastic thermal spike model for insulators and molecular dynamic simulations to investigate the effects of pre-existing damage on the energy dissipation and structural alterations in KTaO₃ under irradiation with 21 MeV Ni ions. Our results reveal a synergy between the pre-existing defects and the electronic energy loss, indicating that the defects play an important role on the energy deposition in the system. Our findings highlight the need for better understanding on the role of defects in electronic energy dissipation and the coupling of the electronic and atomic subsystems.

Original language	English
Article number	015016
Journal	AIP Advances
Volume	7
Issue number	1
DOIs	https://doi.org/10.1063/1.4973938
State	Published - Jan 1 2017

Funding

This work was supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division. This research used resources of the National Energy Research Scientific Computing Center, supported by the Office of Science, US Department of Energy under Contract No.DEAC02-05CH11231.This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan(http://energy.gov/downloads/doe-public-access-plan

Funders	Funder number
DOE Public Access Plan
United States Government
U.S. Department of Energy	DE-AC05-00OR22725
Office of Science
Basic Energy Sciences
Division of Materials Sciences and Engineering

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abstract = "We use the inelastic thermal spike model for insulators and molecular dynamic simulations to investigate the effects of pre-existing damage on the energy dissipation and structural alterations in KTaO3 under irradiation with 21 MeV Ni ions. Our results reveal a synergy between the pre-existing defects and the electronic energy loss, indicating that the defects play an important role on the energy deposition in the system. Our findings highlight the need for better understanding on the role of defects in electronic energy dissipation and the coupling of the electronic and atomic subsystems.",

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Synergistic effects of nuclear and electronic energy loss in KTaO₃ under ion irradiation

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